Compound Detail
CHEMBL363823
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Cn1cncc1C(O)(c1ccc(C#N)cc1)c1ccc2c(c1)n(-c1ccc3c(c1)OCO3)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL363823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSIKSPRXXVOKDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
2.95
ALogP
9
HBA
1
HBD
107.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of bovine farnesyl transferase | 15911281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911281 | 10.1016/j.bmcl.2005.03.049 | Unchecked | 1 |
| 15911281 | 10.1016/j.bmcl.2005.03.049 | Geranylgeranyl transferase type I | 1 |
| 15911281 | 10.1016/j.bmcl.2005.03.049 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine